3-(methylamino)-1-(2-pyrrolidin-1-ylphenyl)propane-1,2-diol

C14H22N2O2 — CID 171859195

IUPAC3-(methylamino)-1-(2-pyrrolidin-1-ylphenyl)propane-1,2-diol
SMILESCNCC(O)C(O)c1ccccc1N1CCCC1
InChIInChI=1S/C14H22N2O2/c1-15-10-13(17)14(18)11-6-2-3-7-12(11)16-8-4-5-9-16/h2-3,6-7,13-15,17-18H,4-5,8-10H2,1H3
InChIKeyWSBVNMSPPGTYRH-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.90
Rot. Bonds5

About 3-(methylamino)-1-(2-pyrrolidin-1-ylphenyl)propane-1,2-diol

3-(methylamino)-1-(2-pyrrolidin-1-ylphenyl)propane-1,2-diol (PubChem CID 171859195) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(methylamino)-1-(2-pyrrolidin-1-ylphenyl)propane-1,2-diol.

Molecular Properties

Compound Name3-(methylamino)-1-(2-pyrrolidin-1-ylphenyl)propane-1,2-diol
PubChem CID171859195
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(methylamino)-1-(2-pyrrolidin-1-ylphenyl)propane-1,2-diol
SMILESCNCC(O)C(O)c1ccccc1N1CCCC1
InChIInChI=1S/C14H22N2O2/c1-15-10-13(17)14(18)11-6-2-3-7-12(11)16-8-4-5-9-16/h2-3,6-7,13-15,17-18H,4-5,8-10H2,1H3
InChIKeyWSBVNMSPPGTYRH-UHFFFAOYSA-N
XLogP0.90
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

S-[2,3-dihydroxy-3-(2-piperidin-1-ylphenyl)propyl] ethanethioate
CID 170822758
1-(2-propan-2-ylphenyl)pyrrolidine
CID 10607693
(1R)-1-(2-piperidin-1-ylphenyl)propan-1-ol
CID 103959701
2,3-dihydroxy-3-(2-pyrrolidin-1-ylphenyl)propanenitrile
CID 171871499
1-(2-chloro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanol
CID 117108221
3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol
CID 171858135
2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 79195677
3-bromo-1-(2-morpholin-4-ylphenyl)propane-1,2-diol
CID 171861252
1-[2-(azepan-1-yl)phenyl]ethanamine
CID 10680362
(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine
CID 28801549
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112677754

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(2-pyrrolidin-1-ylphenyl)propane-1,2-diol?
The IUPAC name of 3-(methylamino)-1-(2-pyrrolidin-1-ylphenyl)propane-1,2-diol (CID 171859195) is 3-(methylamino)-1-(2-pyrrolidin-1-ylphenyl)propane-1,2-diol.
What is the SMILES notation for 3-(methylamino)-1-(2-pyrrolidin-1-ylphenyl)propane-1,2-diol?
The canonical SMILES for 3-(methylamino)-1-(2-pyrrolidin-1-ylphenyl)propane-1,2-diol is CNCC(O)C(O)c1ccccc1N1CCCC1.
What is the InChIKey of 3-(methylamino)-1-(2-pyrrolidin-1-ylphenyl)propane-1,2-diol?
The InChIKey is WSBVNMSPPGTYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-15-10-13(17)14(18)11-6-2-3-7-12(11)16-8-4-5-9-16/h2-3,6-7,13-15,17-18H,4-5,8-10H2,1H3.
What are the key properties of 3-(methylamino)-1-(2-pyrrolidin-1-ylphenyl)propane-1,2-diol?
3-(methylamino)-1-(2-pyrrolidin-1-ylphenyl)propane-1,2-diol has a molecular weight of 250.34 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(2-pyrrolidin-1-ylphenyl)propane-1,2-diol is sourced from PubChem (CID 171859195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).